Name: Name:2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG01BUZ9
Rating: 90 (10 reviews)

2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid

CAS No.:

1551131-41-9

Catalog Number:

AG01BUZ9

Molecular Formula:

C10H12N2O2S

Molecular Weight:

224.2795

Catalog Number:

AG01BUZ9

Chemical Name:

2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid

CAS Number:

1551131-41-9

Molecular Formula:

C10H12N2O2S

Molecular Weight:

224.2795

MDL Number:

MFCD26191883

IUPAC Name:

2-(1-cyano-2-methylbutyl)-1,3-thiazole-4-carboxylic acid

InChI:

InChI=1S/C10H12N2O2S/c1-3-6(2)7(4-11)9-12-8(5-15-9)10(13)14/h5-7H,3H2,1-2H3,(H,13,14)

InChI Key:

GKFXGKIBVFDKBP-UHFFFAOYSA-N

SMILES:

CC(C(c1nc(cs1)C(=O)O)C#N)CC

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.278g/mol

Monoisotopic Mass:

224.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4